[9-Chloro-1-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl](dicyclopropyl)methanol

HCID 57786189

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: COc1nc(C)nc(OC)c1N1CCCn2c1nc1c(Cl)ccc(C(O)(C3CC3)C3CC3)c12
InChIKey: XMVLEYFBKWNZJM-UHFFFAOYSA-N
Molecular formula: C24H28ClN5O3
Average molar mass: 470 g/mol

Names & identifiers

Preferred name: [9-Chloro-1-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl](dicyclopropyl)methanol
IUPAC: [9-chloro-1-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazol-6-yl]-dicyclopropylmethanol

Names & synonyms

SCHEMBL3753343XMVLEYFBKWNZJM-UHFFFAOYSA-N[9-Chloro-1-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazol-6-yl](dicyclopropyl)methanol

Database identifiers

PubChem CID: 57786189

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 85.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 33
Formal charge: 0
Complexity: 698

Related reactions

2 records

New reaction record

HRID 1399099As productuspto-grants-2014_12

HRID 1628748As productuspto-grants-2014_07

Compound notes

Loading…